| CAS Number | 118949-34-1 |
| Catalog Number | AG019M3Q(AGN-PC-0PCNXC) |
| Chemical Name | METHYL[1-(3-NITROPHENYL)ETHYL]AMINE |
| IUPAC Name | N-methyl-1-(3-nitrophenyl)ethanamine |
| InChI | InChI=1S/C9H12N2O2/c1-7(10-2)8-4-3-5-9(6-8)11(12)13/h3-7,10H,1-2H3 |
| InChI Key | OFDFLRRBKHRICK-UHFFFAOYSA-N |
| MDL Number | MFCD10686730 |
| Molecular Formula | C9H12N2O2 |
| Molecular Weight | 180.2038 |
| SMILES | CNC(C1=CC([N+]([O-])=O)=CC=C1)C |
| Synonyms | methyl[1-(3-nitrophenyl)ethyl]amine,
118949-34-1,
N-Methyl-1-(3-nitrophenyl)ethanamine,
n-(1-(3-nitrophenyl)ethyl)methylamine,
SCHEMBL6675648,
AKOS006038732,
MCULE-4331739155,
NE56731,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.207g/mol |
| Monoisotopic Mass | 180.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number